Geometry & MOs

Info

ID:	52654
PubChem CID:	12015634
Reduced:	NO3C19H25 (1)
Stoich.:	AB3C19D25 (1)
Weight, g/mol:	301.167794
ΔH_f, kcal/mol:	-103.96
Dipole, Da:	4.37
IP(EA), eV:	-9.51(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-benzyl-N-[(1S,5S,6R)-6-formyl-5,6-dimethylcyclohex-2-en-1-yl]carbamate

Drug info:

PubChemData

Smile

C[C@H]1C[C@@]([C@H](C(=C1)C)N(CC2=CC=CC=C2)C(=O)OC)(C)C=O

DOS

IR

Vibrations